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CHEBI:158258 - Ile-Asp-Gln

ChEBI IDCHEBI:158258
ChEBI NameIle-Asp-Gln
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC15H26N4O7
Net Charge0
Average Mass374.394
Monoisotopic Mass374.18015
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C15H26N4O7/c1-3-7(2)12(17)14(24)19-9(6-11(21)22)13(23)18-8(15(25)26)4-5-10(16)20/h7-9,12H,3-6,17H2,1-2H3,(H2,16,20)(H,18,23)(H,19,24)(H,21,22)(H,25,26)/t7-,8-,9-,12-/m0/s1
InChIKeyUDLAWRKOVFDKFL-PEFMBERDSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ile-Asp-Gln (CHEBI:158258) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid